Geometry & MOs

Info

ID:

92410

PubChem CID:

49985788

Reduced:

ClFO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-210.11

Dipole, Da:

11.93

IP(EA), eV:

 -8.78(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations